Abiraterone Ethyl Ether-d5

Analyte Name

Abiraterone Ethyl Ether-d5

Molecular Formula

C26H30D5NO

Molecular Weight

382.59

Accurate Mass

382.3

SMILES

[H][C@@]12CC=C3C[C@@H](OC([2H])([2H])C([2H])([2H])[2H])CC[C@]3(C)[C@@]1([H])CC[C@@]4(C)[C@@]2([H])CC=C4C5=CC=CN=C5

InChI

InChI=1S/C26H35NO/c1-4-28-20-11-13-25(2)19(16-20)7-8-21-23-10-9-22(18-6-5-15-27-17-18)26(23,3)14-12-24(21)25/h5-7,9,15,17,20-21,23-24H,4,8,10-14,16H2,1-3H3/t20-,21-,23-,24-,25?,26?/m0/s1/i1D3,4D2

IUPAC

3-((3S,8R,9S,10R,13S,14S)-3-(ethoxy-d5)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine

Unlabelled CAS Number

2484719-14-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat